4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine

C17H29NO — CID 104628715

IUPAC4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
SMILESCCCC(NCC(C)(C)CCOC)c1ccccc1
InChIInChI=1S/C17H29NO/c1-5-9-16(15-10-7-6-8-11-15)18-14-17(2,3)12-13-19-4/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3
InChIKeyKDRPSGPWISWNMJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.18
Rot. Bonds9

About 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine

4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine (PubChem CID 104628715) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
PubChem CID104628715
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
SMILESCCCC(NCC(C)(C)CCOC)c1ccccc1
InChIInChI=1S/C17H29NO/c1-5-9-16(15-10-7-6-8-11-15)18-14-17(2,3)12-13-19-4/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3
InChIKeyKDRPSGPWISWNMJ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
CID 113368973
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine (CID 104628715) is 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine is CCCC(NCC(C)(C)CCOC)c1ccccc1.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine?
The InChIKey is KDRPSGPWISWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-9-16(15-10-7-6-8-11-15)18-14-17(2,3)12-13-19-4/h6-8,10-11,16,18H,5,9,12-14H2,1-4H3.
What are the key properties of 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine?
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine is sourced from PubChem (CID 104628715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).